O4Q
Summary
| Name: | (~{E})-4-chloranyl-3-methyl-but-3-enal |
| Formula: | C5 H7 Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 134.561 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-4-chloranyl-3-methyl-but-3-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C5H7ClO2/c1-4(3-6)2-5(7)8/h3H,2H2,1H3,(H,7,8)/b4-3+ |
| InChIKey | InChI | 1.06 | YPLVUIMDZKTOMU-ONEGZZNKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(/CC(O)=O)=C\Cl |
| SMILES | CACTVS | 3.385 | CC(CC(O)=O)=CCl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C/C(=C\Cl)/CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCl)CC(=O)O |
